1074-43-7

1-METHYL-3-PROPYLBENZENE(1074-43-7) ¹³C NMR

Product Name1-METHYL-3-PROPYLBENZENE

CAS 1074-43-7

Molecular FormulaC10H14

Molecular Weight134.22

InChIInChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3

InChIKey QUEBYVKXYIKVSO-UHFFFAOYSA-N

SmilesC1(C)=CC=CC(CCC)=C1

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1-METHYL-3-PROPYLBENZENE(1074-43-7) <sup>13</sup>C NMR
Mass

MS-NW-3635          
m-propyltoluene
C10H14              (Mass of molecular ion:    134)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       3.5
      39.0       4.6
      41.0       2.4
      50.0       1.0
      51.0       3.2
      52.0       1.0
      53.0       1.4
      63.0       2.1
      65.0       3.3
      77.0       8.1
      78.0       2.6
      79.0       6.6
      89.0       1.0
      91.0       8.7
      92.0       5.7
     103.0       4.2
     104.0       2.1
     105.0     100.0
     106.0      13.5
     115.0       1.9
     117.0       1.8
     119.0       3.8
     134.0      26.6
     135.0       3.0

90 MHz in CDCl3

1-METHYL-3-PROPYLBENZENE(1074-43-7) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₁₀ H₁₄	0.04 ml : 0.5 ml CDCl₃
m-propyltoluene

    Assign.     Shift(ppm)

      A             7.15
      B             7.00
      C          7.04 to 6.87
      D          7.04 to 6.87
      E             2.533
      F             2.314
      G             1.62
      J             0.94

     Hz     ppm     Int.

    649.38   7.251     30
    644.19   7.193     35
    644.06   7.192     35
    641.13   7.159     56
    640.38   7.151     86
    639.75   7.144     98
    637.75   7.121     32
    634.19   7.082    281
    632.31   7.061     34
    629.69   7.031     31
    626.56   6.996    495
    623.75   6.965    107
    623.06   6.957     98
    622.25   6.948     94
    621.56   6.941     88
    620.94   6.934     81
    620.44   6.928     84
    619.81   6.921     83
    619.19   6.914     82
    618.75   6.909     70
    617.38   6.894     39
    616.81   6.888     35
    235.25   2.627    128
    228.19   2.548    238
    226.25   2.527    107
    226.13   2.525    107
    220.13   2.458    196
    207.56   2.318   1000
    207.06   2.312    968
    157.75   1.762     49
    156.75   1.751    123
    155.63   1.738     40
    150.69   1.683    109
    149.88   1.674    111
    149.06   1.665    135
    148.31   1.656    110
    144.50   1.614     38
    143.38   1.601    121
    141.56   1.581    168
    140.94   1.574    117
    136.69   1.527     47
    135.19   1.510     62
    134.38   1.501    128
    128.63   1.437     33
    127.88   1.428     47
    127.31   1.422     42
     91.19   1.019    198
     90.44   1.010    395
     89.81   1.003    256
     83.50   0.933    613
     76.81   0.858    124
     76.00   0.849    235
     75.00   0.838    141

in CDCl3